3GNW
HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4c
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91990 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.534, 107.573, 133.657 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.590 - 2.390 |
R-factor | 0.16916 |
Rwork | 0.167 |
R-free | 0.21708 |
Starting model (for MR) | 3cso |
RMSD bond length | 0.013 |
RMSD bond angle | 1.400 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.590 | 2.460 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.158 | 0.607 |
Number of reflections | 61475 | |
Completeness [%] | 98.5 | 98 |
Redundancy | 6.3 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 293 | 5-8% PEG 6000, 100mM Mg-Salts, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 293K |